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" Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry : "
edited by Camillo Tosi.
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BL
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772918
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b592912
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| Main Entry
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edited by Camillo Tosi.
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| Title & Author
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Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry : : October 12-13, 1987\ edited by Camillo Tosi.
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| Publication Statement
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Dordrecht : Springer Netherlands, 1989
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(276 pages)
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| ISBN
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9400925999
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: 9401076731
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: 9789400925991
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: 9789401076739
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| Contents
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Preface --; Welcome Address --; The Why's of this Workshop --; Development of Potential Energy Functions for Use in Conformational Analysis --; Theoretical Studies of the Energetics and Dynamics of the Aqueous and Ionic Environment about Proteins: Crystals of Streptomycess Griseus Protease A --; Bond Lengths in Transition Structures and Intermediates of Cycloaddition Reactions --; Some Aspects of Computational Polymer Quantum Chemistry --; Ab Initio Configuration Interaction Study of Electronic and Geometric Structure of Alkali Metal Clusters --; WIZARD: Artificial Intelligence and Conformational Analysis --; State of the Art iji Vibrational Dynamics of Large Molecules --; Density Functional Theory and First-Principles Pseudopotentials: Two Important Tools in Solid-State Theory --; Autodeductive Modeling and Optimization in Chemometrics --; Statistical Distribution of Molecular Conformations and its Application in QSAR Research --; Molecular Chain Flexibility and Phase Transitions in Polymers --; General Aspects of Computer-Aided Synthesis Planning --; Detection and Structural Description of the Deepest Minima in a Potential Energy Hypersurface --; Monte Carlo Simulation of the Solvation of a Ribonucleotide --; Round Table Discussion on The Organization of a Molecular Modeling Group in a Chemical Industry --; Author Index.
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| Subject
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Chemistry.
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Physical organic chemistry.
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| LC Classification
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QD39.3.E46E358 1989
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| Added Entry
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Camillo Tosi
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